LMPK12113156
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.2366    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2366    6.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    6.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011    6.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2833    6.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    6.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    7.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2833    7.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2833    5.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3431    7.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0384    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0384    8.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3431    9.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    8.6481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.8452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    5.4817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7206    9.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    6.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6477    5.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188    8.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9809    9.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  1  0  0  0  0
  6 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113156

> <COMMON_NAME>
Herbacetin 3,8-dimethyl ether

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-3,8-dimethoxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,8-Dimethylherbacetin

> <INCHI_KEY>
QEXFTGWTWYZALN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-15-11(20)7-10(19)12-13(21)17(23-2)14(24-16(12)15)8-3-5-9(18)6-4-8/h3-7,18-20H,1-2H3

> <SMILES>
C1(O)=C(OC)C2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13983738

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$